EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184575 - TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:184575
ChEBI NameTG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H100O6
Net Charge0
Average Mass917.454
Monoisotopic Mass916.75199
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,30,32-33,35-36,39,41,44,57H,4-6,8-9,11-15,17-18,20-24,29,31,34,37-38,40,42-43,45-56H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,32-30-,35-33-,39-36-,44-41-/t57-/m0/s1
InChIKeyALKHRCNJLIULIP-BNFVNIRISA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) (CHEBI:184575) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-pentadecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual XrefsDatabases
59653250ChemSpider
HMDB0043754HMDB